2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride

C7H8ClNO4 — CID 70024565

IUPAC2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CC(C(=O)O)CN=C1
InChIInChI=1S/C7H7NO4.ClH/c9-6(10)4-1-5(7(11)12)3-8-2-4;/h1-2,5H,3H2,(H,9,10)(H,11,12);1H
InChIKeyCIZNFCRISPOOFP-UHFFFAOYSA-N
MW205.60 g/mol
LogP0.20
Rot. Bonds2

About 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride

2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride (PubChem CID 70024565) has the molecular formula C7H8ClNO4 and a molecular weight of 205.60 g/mol. Its IUPAC name is 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride.

Molecular Properties

Compound Name2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride
PubChem CID70024565
Molecular FormulaC7H8ClNO4
Molecular Weight205.60 g/mol
Exact Mass205.01
IUPAC Name2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride
SMILESCl.O=C(O)C1=CC(C(=O)O)CN=C1
InChIInChI=1S/C7H7NO4.ClH/c9-6(10)4-1-5(7(11)12)3-8-2-4;/h1-2,5H,3H2,(H,9,10)(H,11,12);1H
InChIKeyCIZNFCRISPOOFP-UHFFFAOYSA-N
XLogP0.20
TPSA86.96 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride?
The IUPAC name of 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride (CID 70024565) is 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride.
What is the SMILES notation for 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride?
The canonical SMILES for 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride is Cl.O=C(O)C1=CC(C(=O)O)CN=C1.
What is the InChIKey of 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride?
The InChIKey is CIZNFCRISPOOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.ClH/c9-6(10)4-1-5(7(11)12)3-8-2-4;/h1-2,5H,3H2,(H,9,10)(H,11,12);1H.
What are the key properties of 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride?
2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride has a molecular weight of 205.60 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydropyridine-3,5-dicarboxylic acid;hydrochloride is sourced from PubChem (CID 70024565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).